C20H23BrClN3O
TL;DR: C20H23BrClN3O (CAS 1049699-26-4) is a chemical compound with molecular formula C20H23BrClN3O and molecular weight 435.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-3,3-dimethylbutan-2-one;hydrobromide
Also Known As: 1-(3-(2-chlorobenzyl)-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3,3-dimethylbutan-2-one hydrobromide, 1-[3-(2-Chloro-benzyl)-2-imino-2,3-dihydro-benzoimidazol-1-yl]-3,3-dimethyl-butan-2-one
| Molecular Formula | C20H23BrClN3O |
|---|---|
| Molecular Weight | 435.07 g/mol |
| LogP | 4.81707 |
| Topological Polar Surface Area | 50.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.0713 |
| Heavy Atoms | 26 |
| Complexity | 998.19434 |
Chemical Identifiers
| CAS Number | 1049699-26-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C1=N)CC3=CC=CC=C3Cl.Br |
Product Overview
C20H23BrClN3O (CAS 1049699-26-4), with molecular formula C20H23BrClN3O and molecular weight 435.07 g/mol. IUPAC: 1-[3-[(2-chlorophenyl)methyl]-2-iminobenzimidazol-1-yl]-3,3-dimethylbutan-2-one;hydrobromide.
Chemical Property Profile of C20H23BrClN3O
Property Insights of C20H23BrClN3O
The XLogP value of 4.81707 indicates that C20H23BrClN3O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.78 Ų, C20H23BrClN3O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H23BrClN3O has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H23BrClN3O?
The CAS number of C20H23BrClN3O is 1049699-26-4.
What is the molecular formula of C20H23BrClN3O?
The molecular formula of C20H23BrClN3O is C20H23BrClN3O.
What is the molecular weight of C20H23BrClN3O?
The molecular weight of C20H23BrClN3O is 435.07 g/mol.
Where can I buy C20H23BrClN3O?
You can request a quote for C20H23BrClN3O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H23BrClN3O?
Yes, KEHONG BIO provides custom synthesis services for C20H23BrClN3O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.